Crystallography Open Database

Information card for entry 7247643

Preview

Coordinates	7247643.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N3-protonated Cytidine nitrate
Formula	C9 H14 N4 O8
Calculated formula	C9 H14 N4 O8
SMILES	O1[C@@H]([C@@H](O)[C@@H](O)[C@@H]1n1c(=O)[nH+]c(cc1)N)CO.O=N(=O)[O-]
Title of publication	A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine
Authors of publication	Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	6549 - 6555
a	7.712 ± 0.0015 Å
b	7.481 ± 0.0015 Å
c	11.062 ± 0.002 Å
α	90°
β	108.44 ± 0.03°
γ	90°
Cell volume	605.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288794 (current)	2024-01-06	cif/ Updating files of 7247643, 7247644 Original log message: Adding full bibliography for 7247643--7247644.cif.	7247643.cif
287231	2023-11-02	cif/ Adding structures of 7247643, 7247644 via cif-deposit CGI script.	7247643.cif